SCHEMBL3060595

SCHEMBL3060595

CCCc1ccc(CCNC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.64
SIGMAR1 Q99720 2/20 0.64
TMEM97 Q5BJF2 1/20 0.64
ATM Q13315 2/20 0.62
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.50
GMNN O75496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10156581 0.89 TAAR1 (0.76) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL2910424 0.86 TAAR1 (0.59) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL17922520 0.86 TAAR1 (0.59) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL3063318 0.85 TAAR1 (0.64) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL18326926 0.84 S1PR2 (0.58) TAAR1SIGMAR1TMEM97ATMTP53
SCHEMBL2906778 0.82 TAAR1 (0.63) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL142480 0.81 LPL (0.62) TAAR1TP53HIF1AHSD17B10KDM4E
SCHEMBL19633181 0.81 TAAR1 (0.48) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL17919923 0.80 TAAR1 (0.64) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL13407790 0.80 KDM4E (0.52) TAAR1SIGMAR1TMEM97MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019154436-A1 PREPARATION METHOD FOR HIGH PURITY RACEMIC ADRENALINE 美药星(南京)制药有限公司 2019-08-15 WO disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
EP-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885SIGMAR1 4745/4885TMEM97 4433/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.